SCHEMBL7697285

SCHEMBL7697285

Nc1ccnc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ASIC3 Q9UHC3 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRB2 P47870 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Adamantane SCHEMBL28003387 0.89 ALDH1A1 (0.37) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL7085717 0.78 TDP1 (0.45) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL28720537 0.77 TSHR (0.48) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL3862889 0.75 ALDH1A1 (0.44) ALDH1A1TDP1ALOX15TSHRRECQL
SCHEMBL19791860 0.75 TDP1 (0.44) ALDH1A1TDP1CYP3A4RECQLL3MBTL1
SCHEMBL7985686 0.75 GABRA1 (0.37) ALDH1A1TDP1CYP3A4TSHRRECQL
SCHEMBL652346 0.75 MEN1 (0.39) ALDH1A1TDP1CYP3A4RECQLHSD17B10
SCHEMBL5700377 0.75 GABRA1 (0.37) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL826540 0.75 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMAPK1L3MBTL1
SCHEMBL3614808 0.75 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4GABRA1GABRG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INT (DE) 2026-03-19 US disclosed
WO-2025108234-A1 COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦药物研究院有限公司 2025-05-30 WO disclosed
CN-117126578-B Organosilicon polymer/POSS hybrid antifouling coating grafted with antibacterial molecules and preparation method thereof 中国科学院海洋研究所 2025-04-22 CN disclosed
CN-119504808-A Compound, preparation method and application thereof 四川科伦药物研究院有限公司 2025-02-25 CN disclosed
US-20240190891-A1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-06-13 US disclosed
EP-4182323-B1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARM SPA (IT) 2024-04-24 EP disclosed
CN-117126578-A Organosilicon polymer/POSS hybrid antifouling coating grafted with antibacterial molecules and preparation method thereof 中国科学院海洋研究所 2023-11-28 CN disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
EP-4182323-A1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-05-24 EP disclosed
CN-116075307-A Pyridooxazine amino derivatives as ALK5 inhibitors 奇斯药制品公司 2023-05-05 CN disclosed
CN-115916778-A Methionine adenosyltransferase inhibitor, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2023-04-04 CN disclosed
WO-2022053022-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 赛诺哈勃药业(成都)有限公司 2022-03-17 WO disclosed
WO-2022013312-A1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-01-20 WO disclosed
CN-106061963-B Heterocyclic modulators of lipid synthesis and combinations thereof 3-V生物科学股份有限公司 2019-10-22 CN disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
WO-2015110263-A1 CARBAZOLE AND CARBOLINE COMPOUNDS FOR USE IN THE DIAGNOSIS, TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH AMYLOID OR AMYOLID-LIKE PROTEINS AC IMMUNE SA (CH) 2015-07-30 WO disclosed
US-6337368-B1 WATER INSOLUBLE CARRIERS WITH P-NITROBENZOIC ACID, AROMATIC AMINES, AMIDES, SULFONAMIDES AND HYDRAZIDES KANEKA CORPORATION (JP) 2002-01-08 US disclosed
EP-1008383-A1 LIPOPROTEIN ADSORBENT AND LIPOPROTEIN ADSORBER MADE WITH THE USE OF THE SAME KANEKA CORPORATION (JP) 2000-06-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, CD22, CD79B ALDH1A1 877/4885TDP1 2127/4885CYP3A4 1819/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA ALDH1A1 3871/4885TDP1 3067/4885CYP3A4 3314/4885
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF PTGES, PTGS1, PTGIS ALDH1A1 51/4885TDP1 3280/4885CYP3A4 49/4885
US-20240190891-A1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS TGFBR1, ACVR1, ALK ALDH1A1 577/4885TDP1 2201/4885CYP3A4 2698/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.